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SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cnccn3)C(=O)c2c1

InChI Key: InChIKey=MTFUHJWNZKKUJR-QHCPKHFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325006   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50325006
PNG
((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3cnccn3)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H19N5O4/c1-32-17-7-4-15-12-28(20(29)18(15)10-17)13-23(21(30)26-22(31)27-23)16-5-2-14(3-6-16)19-11-24-8-9-25-19/h2-11H,12-13H2,1H3,(H2,26,27,30,31)/t23-/m0/s1
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Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage

Bioorg Med Chem Lett 20: 5286-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.134
BindingDB Entry DOI: 10.7270/Q26W9B8K
More data for this
Ligand-Target Pair